4439-0035 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

4439-0035 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
4439-0035 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4439-0035
2-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4439-0035

Molecular Formula

C17H15NO4S (C17 H15 NO4 S)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

IUPAC name

2-(2H-13-benzodioxol-5-yl)-3-(4-methoxyphenyl)-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1N(C(c(cc1)cc2c1OCO2)SC1)C1=O

InChI

InChI=1S/C17H15NO4S/c1-20-13-5-3-12(4-6-13)18-16(19)9-23-17(18)11-2-7-14-15(8-11)22-10-21-14/h2-8,17H,9-10H2,1H3

InChI Key

JQBXBPDBVMWJNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.38

Polar Surface Area

40.792

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-8.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

4439-0035 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 4439-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4439-0035?
Check Price and Availability of 4439-0035, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4439-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4439-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4439-0035
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4439-0035 available by request